N-(4-aminobutyl)prop-2-enamide;hydrochloride

C7H15ClN2O — CID 19429106

IUPACN-(4-aminobutyl)prop-2-enamide;hydrochloride
SMILESC=CC(=O)NCCCCN.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-2-7(10)9-6-4-3-5-8;/h2H,1,3-6,8H2,(H,9,10);1H
InChIKeyBANNFPLOEUCPAL-UHFFFAOYSA-N
MW178.66 g/mol
LogP0.45
Rot. Bonds5

About N-(4-aminobutyl)prop-2-enamide;hydrochloride

N-(4-aminobutyl)prop-2-enamide;hydrochloride (PubChem CID 19429106) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is N-(4-aminobutyl)prop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminobutyl)prop-2-enamide;hydrochloride
PubChem CID19429106
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC NameN-(4-aminobutyl)prop-2-enamide;hydrochloride
SMILESC=CC(=O)NCCCCN.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-2-7(10)9-6-4-3-5-8;/h2H,1,3-6,8H2,(H,9,10);1H
InChIKeyBANNFPLOEUCPAL-UHFFFAOYSA-N
XLogP0.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-(3-aminopropyl)prop-2-enamide;chloromethane
CID 126509380
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
acetic acid;N-(3-aminopropyl)prop-2-enamide
CID 173132431
N-(3-aminopropyl)prop-2-enamide;propane-1-sulfonic acid
CID 175014002
N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
CID 173056449
4-(prop-2-enoylamino)butanamide
CID 60864661
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N-heptadecylprop-2-enamide
CID 20727742
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-butylprop-2-enamide;hydrofluoride
CID 174533496

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)prop-2-enamide;hydrochloride?
The IUPAC name of N-(4-aminobutyl)prop-2-enamide;hydrochloride (CID 19429106) is N-(4-aminobutyl)prop-2-enamide;hydrochloride.
What is the SMILES notation for N-(4-aminobutyl)prop-2-enamide;hydrochloride?
The canonical SMILES for N-(4-aminobutyl)prop-2-enamide;hydrochloride is C=CC(=O)NCCCCN.Cl.
What is the InChIKey of N-(4-aminobutyl)prop-2-enamide;hydrochloride?
The InChIKey is BANNFPLOEUCPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-2-7(10)9-6-4-3-5-8;/h2H,1,3-6,8H2,(H,9,10);1H.
What are the key properties of N-(4-aminobutyl)prop-2-enamide;hydrochloride?
N-(4-aminobutyl)prop-2-enamide;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)prop-2-enamide;hydrochloride is sourced from PubChem (CID 19429106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).